3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

C21H18ClF3N2O3 — CID 38259815

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 38259815) has the molecular formula C21H18ClF3N2O3 and a molecular weight of 438.83 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
• PubChem CID: 38259815
• Molecular Formula: C21H18ClF3N2O3
• Molecular Weight: 438.83 g/mol
• Exact Mass: 438.10
• IUPAC Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
• SMILES: CN(Cc1ccccc1OC(F)(F)F)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C21H18ClF3N2O3/c1-27(13-15-4-2-3-5-17(15)30-21(23,24)25)20(28)11-10-19-26-12-18(29-19)14-6-8-16(22)9-7-14/h2-9,12H,10-11,13H2,1H3
• InChIKey: PXWPAEIBLBMDLL-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.83
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?

The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (CID 38259815) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.

What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?

The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1.

What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?

The InChIKey is PXWPAEIBLBMDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N2O3/c1-27(13-15-4-2-3-5-17(15)30-21(23,24)25)20(28)11-10-19-26-12-18(29-19)14-6-8-16(22)9-7-14/h2-9,12H,10-11,13H2,1H3.

What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 438.83 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 38259815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).